7NYB

TrmB complex with SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	H 3
Unit cell lengths	178.190, 178.190, 37.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.550 - 2.500
R-factor	0.2111
Rwork	0.209
R-free	0.25390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fca
RMSD bond length	0.010
RMSD bond angle	1.586
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.550	2.500
High resolution limit [Å]	2.450	2.450
Rmerge	0.108	1.307
Rmeas	0.113	1.372
Total number of observations	169792
Number of reflections	16092	939
<I/σ(I)>	13.31	1.91
Completeness [%]	99.9	100
Redundancy	10.551	10.808
CC(1/2)	0.999	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	20%PEG4000, 20%Glycerol, 0.06M KAc, 0.08M (NH4)2SO4, 0.01M Triethylamine hydrochloride